| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one 3-[(3S)-3-(diethylamino)pyrrolid…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.83 | 7.97 | -36.6 | 1 | 3 | 1 | 25 | 293.406 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 5.86 | -5.94 | 0 | 3 | 0 | 24 | 292.398 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 10.39 | -116.26 | 2 | 3 | 2 | 26 | 294.414 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
